1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole

C24H22N2 — CID 138747004

IUPAC1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole
SMILESCc1ccc(-c2ccccc2)cc1-c1cccc(-c2nccn2C)c1C
InChIInChI=1S/C24H22N2/c1-17-12-13-20(19-8-5-4-6-9-19)16-23(17)21-10-7-11-22(18(21)2)24-25-14-15-26(24)3/h4-16H,1-3H3
InChIKeyBOLVOFWKWQSPST-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.04
Rot. Bonds3

About 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole

1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole (PubChem CID 138747004) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole
PubChem CID138747004
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole
SMILESCc1ccc(-c2ccccc2)cc1-c1cccc(-c2nccn2C)c1C
InChIInChI=1S/C24H22N2/c1-17-12-13-20(19-8-5-4-6-9-19)16-23(17)21-10-7-11-22(18(21)2)24-25-14-15-26(24)3/h4-16H,1-3H3
InChIKeyBOLVOFWKWQSPST-UHFFFAOYSA-N
XLogP6.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole?
The IUPAC name of 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole (CID 138747004) is 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole.
What is the SMILES notation for 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole?
The canonical SMILES for 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole is Cc1ccc(-c2ccccc2)cc1-c1cccc(-c2nccn2C)c1C.
What is the InChIKey of 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole?
The InChIKey is BOLVOFWKWQSPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-17-12-13-20(19-8-5-4-6-9-19)16-23(17)21-10-7-11-22(18(21)2)24-25-14-15-26(24)3/h4-16H,1-3H3.
What are the key properties of 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole?
1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole has a molecular weight of 338.45 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole is sourced from PubChem (CID 138747004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).